SCHEMBL20628368

SCHEMBL20628368

CCSc1cc(C(F)(F)F)cnc1-c1nc2cc(C3CC3)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19755915 0.85 POLB (0.37) POLB
SCHEMBL17896023 0.84 POLB (0.37) POLB
SCHEMBL17896030 0.84 POLB (0.39) POLB
SCHEMBL17009004 0.84 POLB (0.37) POLBDRD2DRD4DRD3GRM2
SCHEMBL17009008 0.82 JAK2 (0.35) POLB
SCHEMBL20847439 0.82 POLB (0.40) POLBPIK3CAPRKAA2
SCHEMBL20847335 0.82 POLB (0.36) POLB
SCHEMBL17901811 0.82 POLB (0.36) POLB
SCHEMBL17623464 0.82 CYP11B1 (0.34) POLBCYP11B1CYP11B2DRD2DRD4
SCHEMBL14678088 0.81 POLB (0.40) POLBGRM2PIK3CA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3194394-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-01-09 — — EP disclosed
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